3-[3-bromanyl-5-chloranyl-2-[2-(dimethylazaniumyl)ethoxy]phenyl]propanoate

Systemtic Name: 3-[3-bromanyl-5-chloranyl-2-[2-(dimethylazaniumyl)ethoxy]phenyl]propanoate Openeye Name: 3-[3-bromo-5-chloro-2-[2-(dimethylammonio)ethoxy]phenyl]propanoate CAS Name: 3-[3-bromo-5-chloro-2-[2-(dimethylammonio)ethoxy]phenyl]propanoate IUPAC Name: 3-[3-bromo-5-chloro-2-[2-(dimethylazaniumyl)ethoxy]phenyl]propanoate Traditional Name: 3-[3-bromo-5-chloro-2-[2-(dimethylammonio)ethoxy]phenyl]propionate Formula: C13H17BrClNO3 MolecularWeight: 350.63598

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCOC1=C(C=C(C=C1CCC(=O)[O-])Cl)Br

Isomeric SMILES

C[NH+](C)CCOC1=C(C=C(C=C1CCC(=O)[O-])Cl)Br

InChI

InChI=1S/C13H17BrClNO3/c1-16(2)5-6-19-13-9(3-4-12(17)18)7-10(15)8-11(13)14/h7-8H,3-6H2,1-2H3,(H,17,18)